4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | IB07-5395 |
| Compound Name: | 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C23 H20 Cl N3 O S |
| Smiles: | Cc1ccccc1CSc1nnc(c2cccc(c2)OC)n1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.84 |
| logD: | 6.84 |
| logSw: | -7.33 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 77.04 |
| InChI Key: | IMUIKLYRKSDKDU-UHFFFAOYSA-N |